1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one

C24H22FNO3 — CID 69440099

IUPAC1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one
SMILESO=C1CCN1c1ccc(-c2ccc(O)cc2)c(CCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H22FNO3/c25-19-6-1-17(2-7-19)23(28)12-5-18-15-20(26-14-13-24(26)29)8-11-22(18)16-3-9-21(27)10-4-16/h1-4,6-11,15,23,27-28H,5,12-14H2
InChIKeySHSLRNYGAGOGQR-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.60
Rot. Bonds6

About 1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one

1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one (PubChem CID 69440099) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is 1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one
PubChem CID69440099
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one
SMILESO=C1CCN1c1ccc(-c2ccc(O)cc2)c(CCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H22FNO3/c25-19-6-1-17(2-7-19)23(28)12-5-18-15-20(26-14-13-24(26)29)8-11-22(18)16-3-9-21(27)10-4-16/h1-4,6-11,15,23,27-28H,5,12-14H2
InChIKeySHSLRNYGAGOGQR-UHFFFAOYSA-N
XLogP4.60
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one?
The IUPAC name of 1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one (CID 69440099) is 1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one.
What is the SMILES notation for 1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one?
The canonical SMILES for 1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one is O=C1CCN1c1ccc(-c2ccc(O)cc2)c(CCC(O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one?
The InChIKey is SHSLRNYGAGOGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3/c25-19-6-1-17(2-7-19)23(28)12-5-18-15-20(26-14-13-24(26)29)8-11-22(18)16-3-9-21(27)10-4-16/h1-4,6-11,15,23,27-28H,5,12-14H2.
What are the key properties of 1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one?
1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one has a molecular weight of 391.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)phenyl]azetidin-2-one is sourced from PubChem (CID 69440099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).